Partial structural functions of molten copper halides CuX (X = Br, I) estimated from the anomalous x-ray scattering measurements
Partial structural functions of molten copper halides CuX (X = Br, I) estimated from the anomalous x-ray scattering measurements
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根据异常 X 射线散射测量估算熔融卤化铜 CuX (X = Br, I) 的部分结构函数
DOI：
10.1088/0953-8984/12/8a/323
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发表时间：
2000
期刊：
影响因子：
--
通讯作者：
M. Saito
中科院分区：
文献类型：
--
作者：
Y. Waseda;S. Kang;K. Sugiyama;M. Kimura;M. Saito
从反常X射线散射(AXS)测量结合反蒙特卡罗(RMC)模拟技术，估算了熔融卤化铜CuX(X=Br，I)的三个部分结构函数。在CuBr和CuI两种熔融情况下，CuCu(Q)的铜-铜偏结构因子都是无结构的，并且最近的铜-铜距离明显小于X-X，表明类离子穿透到第一个非离子配位壳层，类似于熔融CuCl的情况。然后我们提出了阴离子的无序紧密堆积，其中铜离子蜿蜒，从而通过穿透四面体空穴而呈现出强烈的无序分布。
The three partial structural functions of molten copper halides CuX (X = Br, I) have been estimated from anomalous x-ray scattering (AXS) measurements coupled with the reverse Monte Carlo (RMC) simulation technique. For both cases of molten CuBr and CuI, the Cu-Cu partial structure factor of a CuCu (Q ) was found to be rather structureless and the closest Cu-Cu distance was significantly smaller than that for X-X, indicating like-ion penetration into the first unlike-ion coordination shell, similar to the molten CuCl case. We then suggest a disordered close packing of anions where Cu ions meander so as to take a strongly disordered distribution by penetrating through the tetrahedral holes.